2-phenoxy-N-(4-propan-2-ylphenyl)butanamide

C19H23NO2 — CID 2853683

IUPAC2-phenoxy-N-(4-propan-2-ylphenyl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H23NO2/c1-4-18(22-17-8-6-5-7-9-17)19(21)20-16-12-10-15(11-13-16)14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)
InChIKeyDTMPZDYJFKKQRK-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.61
Rot. Bonds6

About 2-phenoxy-N-(4-propan-2-ylphenyl)butanamide

2-phenoxy-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 2853683) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-phenoxy-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name2-phenoxy-N-(4-propan-2-ylphenyl)butanamide
PubChem CID2853683
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-phenoxy-N-(4-propan-2-ylphenyl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H23NO2/c1-4-18(22-17-8-6-5-7-9-17)19(21)20-16-12-10-15(11-13-16)14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21)
InChIKeyDTMPZDYJFKKQRK-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of 2-phenoxy-N-(4-propan-2-ylphenyl)butanamide (CID 2853683) is 2-phenoxy-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 2-phenoxy-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 2-phenoxy-N-(4-propan-2-ylphenyl)butanamide is CCC(Oc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-phenoxy-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is DTMPZDYJFKKQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-18(22-17-8-6-5-7-9-17)19(21)20-16-12-10-15(11-13-16)14(2)3/h5-14,18H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-phenoxy-N-(4-propan-2-ylphenyl)butanamide?
2-phenoxy-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 297.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 2853683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).